4-(Trifluoromethyl)benzenethiol(CAS: 825-83-2)

CAS Number
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Basic Information
Molecular Formula
C7H5F3S
Molecular Weight
178.18 g/mol
Physical Properties
Melting Point
56-57 ºC
Boiling Point
68-72 ºC
Density
1.3
Flash Point
66-68 ºC
Water Solubility
Insoluble in water.
Chemical Identifiers
SMILES
C1=CC(=CC=C1C(F)(F)F)S
InChIKey
WCMLRSZJUIKVCW-UHFFFAOYSA-N
Database References
MDL Number
MFCD00042320
Beilstein Registry Number
2045665
FAQ
4-(Trifluoromethyl)benzenethiol is a colorless or light yellow liquid with a molecular weight of approximately 222.12 g/mol. It has a melting point of -28°C and a boiling point of 140-142°C. This compound is slightly soluble in water but miscible with most organic solvents. It is reactive and can undergo substitution reactions. It is also a potent thiol, which makes it a strong reducing agent.
4-(Trifluoromethyl)benzenethiol is typically synthesized via the reduction of 4-(trifluoromethyl)benzenesulfonyl chloride with a suitable reducing agent like sodium sulfide in an aqueous medium. The process involves the use of mild conditions to ensure selectivity and high yield. The reaction is carried out in a well-ventilated fume hood due to the strong odor and potential for bromine evolution.
4-(Trifluoromethyl)benzenethiol is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of anti-inflammatory and anticancer drugs. It is also utilized in the production of polymer additives, sensors, and semiconductors. Its unique chemical properties make it valuable in these applications.
Handling 4-(Trifluoromethyl)benzenethiol requires careful attention to safety. It must be stored in a cool, dry place, away from heat and sources of ignition. It should be handled in a fume hood due to its strong odor and potential for bromine evolution. Proper personal protective equipment (PPE) including gloves, safety goggles, and a lab coat should be worn. In case of a spill, it should be contained and disposed of according to Material Safety Data Sheet (MSDS) guidelines.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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